1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]urea

C20H23ClN4O2S — CID 86889686

IUPAC1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]urea
SMILESCOCCSc1ccc(C(C)NC(=O)NCc2cn3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C20H23ClN4O2S/c1-14(15-3-6-18(7-4-15)28-10-9-27-2)23-20(26)22-11-17-13-25-12-16(21)5-8-19(25)24-17/h3-8,12-14H,9-11H2,1-2H3,(H2,22,23,26)
InChIKeyQZNZCIMLQQFXDD-UHFFFAOYSA-N
MW418.95 g/mol
LogP4.29
Rot. Bonds8

About 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]urea

1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]urea (PubChem CID 86889686) has the molecular formula C20H23ClN4O2S and a molecular weight of 418.95 g/mol. Its IUPAC name is 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]urea
PubChem CID86889686
Molecular FormulaC20H23ClN4O2S
Molecular Weight418.95 g/mol
Exact Mass418.12
IUPAC Name1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]urea
SMILESCOCCSc1ccc(C(C)NC(=O)NCc2cn3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C20H23ClN4O2S/c1-14(15-3-6-18(7-4-15)28-10-9-27-2)23-20(26)22-11-17-13-25-12-16(21)5-8-19(25)24-17/h3-8,12-14H,9-11H2,1-2H3,(H2,22,23,26)
InChIKeyQZNZCIMLQQFXDD-UHFFFAOYSA-N
XLogP4.29
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 86995183
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylethyl)urea
CID 47221365
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-chlorophenyl)ethanamine
CID 78818376
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115625613
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3,3-dimethylbutanamide
CID 47150050
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N,N-dimethylpropanamide
CID 78959550
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexanamide
CID 47151010
1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82723556
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 113231286
5-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-fluorobenzamide
CID 86917632
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92680171
(2E,4E)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide
CID 47151007

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]urea?
The IUPAC name of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]urea (CID 86889686) is 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]urea?
The canonical SMILES for 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]urea is COCCSc1ccc(C(C)NC(=O)NCc2cn3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]urea?
The InChIKey is QZNZCIMLQQFXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2S/c1-14(15-3-6-18(7-4-15)28-10-9-27-2)23-20(26)22-11-17-13-25-12-16(21)5-8-19(25)24-17/h3-8,12-14H,9-11H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]urea?
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]urea has a molecular weight of 418.95 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]urea is sourced from PubChem (CID 86889686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).